3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole

C21H20N2O4 — CID 91549721

IUPAC3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(-c2cc(-c3ccc4c(ccn4C)c3)no2)cc(OC)c1OC
InChIInChI=1S/C21H20N2O4/c1-23-8-7-14-9-13(5-6-17(14)23)16-12-18(27-22-16)15-10-19(24-2)21(26-4)20(11-15)25-3/h5-12H,1-4H3
InChIKeyUEZIBFRKZCZQAB-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.53
Rot. Bonds5

About 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole

3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole (PubChem CID 91549721) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
PubChem CID91549721
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(-c2cc(-c3ccc4c(ccn4C)c3)no2)cc(OC)c1OC
InChIInChI=1S/C21H20N2O4/c1-23-8-7-14-9-13(5-6-17(14)23)16-12-18(27-22-16)15-10-19(24-2)21(26-4)20(11-15)25-3/h5-12H,1-4H3
InChIKeyUEZIBFRKZCZQAB-UHFFFAOYSA-N
XLogP4.53
TPSA58.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91309550
3-(4-iodophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 90718317
2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol
CID 11337247
7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazine
CID 164618474
3-(3-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 169224083
1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine
CID 117325598
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
5-(1-methylindol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 10937379
3,4,5-trimethoxy-N-methyl-N-(1-methylindol-5-yl)sulfanylaniline
CID 177336878
5-(5-methoxypyrimidin-2-yl)-1-methylindole
CID 137376147
4-methyl-6-(1-methylindol-5-yl)pyrimidin-2-amine
CID 56857402
3-cyclohepta-1,3,4,6-tetraen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91329198

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole (CID 91549721) is 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole is COc1cc(-c2cc(-c3ccc4c(ccn4C)c3)no2)cc(OC)c1OC.
What is the InChIKey of 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The InChIKey is UEZIBFRKZCZQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-23-8-7-14-9-13(5-6-17(14)23)16-12-18(27-22-16)15-10-19(24-2)21(26-4)20(11-15)25-3/h5-12H,1-4H3.
What are the key properties of 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole has a molecular weight of 364.40 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 91549721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).